Base information

Cat. No.
CAS No.1621169-52-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C133H227N43O33
Molecular Weight 2956.49
Exact Mass 2954.74
XLogP3 7.5884
Mr 767.448
PSA 1301.33
Sequence -
Atom number 436
Bond number 438
Ring number 3
Rotor number 130
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCNC(=N)N)CC(C)C)CCCCN)CO)CC(C)C)[C@H](CC)C)CCC(=O)N)[C@H](CC)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](N)C)CCCNC(=N)N)CCC(=O)N)CC(=O)N)CCCNC(=N)N)Cc1ccc(cc1)O)CO)CCCNC(=N)N)CCC(=O)O)C

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